1,1-Dichloro-1-nitroethane
TL;DR: 1,1-Dichloro-1-nitroethane (CAS 594-72-9) is a chemical compound with molecular formula C2H3Cl2NO2 and molecular weight 142.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-1-nitroethane
Also Known As: Ethide, Dichloronitroethane, 1,1-DICHLORO-1-NITROETHANE, Hexabromoethane, Dichloro-1-nitroethane
| Molecular Formula | C2H3Cl2NO2 |
|---|---|
| Molecular Weight | 142.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.95409 |
| Heavy Atoms | 7 |
| Complexity | 86.0 |
| Boiling Point | 123.9 °C at 760 mmHg |
| Density | 1.42 |
| Solubility | 1 to 10 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 75.6 °C |
| Vapor Pressure | 16 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 594-72-9 |
|---|---|
| SMILES | CC([N+](=O)[O-])(Cl)Cl |
| InChIKey | OQOGEOLRYAOSKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichloro-1-nitroethane (CAS 594-72-9), with molecular formula C2H3Cl2NO2 and molecular weight 142.95 g/mol. IUPAC: 1,1-dichloro-1-nitroethane.
Chemical Property Profile of 1,1-Dichloro-1-nitroethane
Property Insights of 1,1-Dichloro-1-nitroethane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloro-1-nitroethane. With a topological polar surface area (TPSA) of 45.8 Ų, 1,1-Dichloro-1-nitroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloro-1-nitroethane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Dichloro-1-nitroethane?
The CAS number of 1,1-Dichloro-1-nitroethane is 594-72-9.
What is the molecular formula of 1,1-Dichloro-1-nitroethane?
The molecular formula of 1,1-Dichloro-1-nitroethane is C2H3Cl2NO2.
What is the molecular weight of 1,1-Dichloro-1-nitroethane?
The molecular weight of 1,1-Dichloro-1-nitroethane is 142.95 g/mol.
Where can I buy 1,1-Dichloro-1-nitroethane?
You can request a quote for 1,1-Dichloro-1-nitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloro-1-nitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloro-1-nitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.